Methyl 3-cyanopropanoate (C5H7NO2)

Methyl 3-cyanopropanoate (C5H7NO2; CAS 4107-62-4) is a practical retrosynthesis target. Methyl 3-cyanopropanoate presents a C5 framework, basic nitrogen. Open AI route search in one click below.

Target: Methyl 3-cyanopropanoate
CAS: 4107-62-4
Formula: C5H7NO2
Approx. MW: 113.12
SMILES: COC(=O)CCC#N
PubChem CID: 77749
Approx. carbons: C5

Methyl 3-cyanopropanoate structure

Properties

Molecular weight: 113.12

View on PubChem

Methyl 3-cyanopropanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl 3-cyanopropanoate?

Methyl 3-cyanopropanoate has molecular formula C5H7NO2. Molecular weight about 113.12 g·mol⁻¹.

What is the CAS number of Methyl 3-cyanopropanoate?

The CAS Registry Number for Methyl 3-cyanopropanoate is 4107-62-4.

Run AI retrosynthesis for Methyl 3-cyanopropanoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H7NO2.

Related targets

Similar compounds

Ethyl Cyanoacetate 1-Methyl-2-Pyrrolidinone 2-(propan-2-yloxy)ethan-1-amine 2-Methyl-3-Butenenitrile 3-(aminopropyl)ethylenediamine 3-Aminopentane

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.